N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

C19H20Cl2N6O3 — CID 164530039

IUPACN-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)Nc2ccc(-c3n[nH]c(=O)o3)cc2N2CCC[C@H](N)C2)c(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N6O3/c1-9-14(20)15(21)16(23-9)17(28)24-12-5-4-10(18-25-26-19(29)30-18)7-13(12)27-6-2-3-11(22)8-27/h4-5,7,11,23H,2-3,6,8,22H2,1H3,(H,24,28)(H,26,29)/t11-/m0/s1
InChIKeyHELLIKVWNGUXBD-NSHDSACASA-N
MW451.31 g/mol
LogP3.15
Rot. Bonds4

About N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 164530039) has the molecular formula C19H20Cl2N6O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID164530039
Molecular FormulaC19H20Cl2N6O3
Molecular Weight451.31 g/mol
Exact Mass450.10
IUPAC NameN-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)Nc2ccc(-c3n[nH]c(=O)o3)cc2N2CCC[C@H](N)C2)c(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N6O3/c1-9-14(20)15(21)16(23-9)17(28)24-12-5-4-10(18-25-26-19(29)30-18)7-13(12)27-6-2-3-11(22)8-27/h4-5,7,11,23H,2-3,6,8,22H2,1H3,(H,24,28)(H,26,29)/t11-/m0/s1
InChIKeyHELLIKVWNGUXBD-NSHDSACASA-N
XLogP3.15
TPSA133.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (CID 164530039) is N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)Nc2ccc(-c3n[nH]c(=O)o3)cc2N2CCC[C@H](N)C2)c(Cl)c1Cl.
What is the InChIKey of N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is HELLIKVWNGUXBD-NSHDSACASA-N. The full InChI is InChI=1S/C19H20Cl2N6O3/c1-9-14(20)15(21)16(23-9)17(28)24-12-5-4-10(18-25-26-19(29)30-18)7-13(12)27-6-2-3-11(22)8-27/h4-5,7,11,23H,2-3,6,8,22H2,1H3,(H,24,28)(H,26,29)/t11-/m0/s1.
What are the key properties of N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 451.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-aminopiperidin-1-yl]-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164530039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).